SCHEMBL17468596

SCHEMBL17468596

CCCCOC[C@H]1O[C@@H](c2csc3c(NC(=O)c4ccccc4)ncnc23)[C@H](F)[C@@H]1OCCCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 1/20 0.35
▸ PDE4B Q07343 1/20 0.35
▸ PDE4C Q08493 1/20 0.35
▸ PDE4D Q08499 1/20 0.35
▸ NR1H4 Q96RI1 2/20 0.34
▸ PLK1 P53350 1/20 0.33
▸ SMN1; SMN2 Q16637 4/20 0.32
▸ NPC1 O15118 3/20 0.32
▸ RAB9A P51151 3/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ LMNA P02545 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ TP53 P04637 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ PRMT6 Q96LA8 1/20 0.32
▸ STAT3 P40763 1/20 0.32
▸ AURKA O14965 1/20 0.32
▸ RPS6KB1 P23443 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17479350 0.86 PDE2A (0.38) TP53AURKARPS6KB1
SCHEMBL17468593 0.80 LTA4H (0.33) SMN1; SMN2HSD17B10HPGDALDH1A1KDM4E
SCHEMBL17465435 0.80 BRD4 (0.35) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL17465397 0.80 SMN1; SMN2 (0.35) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL17468595 0.80 GJB2 (0.32) —
SCHEMBL17465432 0.78 BRD4 (0.35) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL21837294 0.78 PRMT6 (0.33) SMN1; SMN2HPGDPRMT6ALDH1A1KDM4E
SCHEMBL17465396 0.77 LGALS9 (0.38) —
SCHEMBL17479346 0.77 LGALS9 (0.38) —
SCHEMBL17465407 0.77 PDPK1 (0.35) NPC1RAB9APRMT6AURKARPS6KB1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9828388-B2 Thieno[3,2-d]pyrimidine, furo[3,2-d]pyrimidine, and pyrrolo[3,2-D]pyrimidines useful for treating respiratory syncitial virus infections GILEAD SCIENCES, INC. (US) 2017-11-28 — — US disclosed
WO-2016018697-A1 THIENO [3,2-D] PYRIMIDINE, FURO [3,2,D] PYRIMIDINE, AND PYRROLO [3,2-D] PYRIMIDINES USEFUL FOR TREATING RESPIRATORY SYNCITIAL VIRUS INFECTIONS GILEAD SCIENCES, INC. (US) 2016-02-04 — — WO disclosed
US-20160024107-A1 THIENO[3,2-d]PYRIMIDINE, FURO[3,2-d]PYRIMIDINE, AND PYRROLO[3,2-D]PYRIMIDINES USEFUL FOR TREATING RESPIRATORY SYNCITIAL VIRUS INFECTIONS GILEAD SCIENCES, INC. 2016-01-28 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160024107-A1 THIENO[3,2-d]PYRIMIDINE, FURO[3,2-d]PYRIMIDINE, AND PYRROLO[3,2-D]PYRIMIDINES USEFUL FOR TREATING RESPIRATORY SYNCITIAL VIRUS INFECTIONS DPYD, TYMS, TYMP PDE4A 2348/4885PDE4B 2136/4885PDE4C 2361/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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